相关论文: The vibrational modes of simplicial molecules
Vibrational spectra can be computed without storing full-dimensional vectors by using low-rank sum-of-products (SOP) basis functions. We introduce symmetry constraints in the SOP basis functions to make it possible to separately calculate…
In this paper we introduce a method which allows us to study properties of the random uniform simplicial complex. That is, we assign equal probability to all simplicial complexes with a given number of vertices and then consider properties…
A contractible simplicial complex is constructed that parametrizes different ways of representing a fixed one-dimensional homology class in a closed orientable surface by isotopy classes of systems of disjoint oriented simple closed curves.…
We consider the motion of a finite though large number of particles in the whole space R n. Particles move freely until they experience pairwise collisions. We use our recent theory of divergence-controlled positive symmetric tensors in…
We investigate the dynamics of a rotating Morse wave packet, appropriate for a ro-vibrating diatomic molecule. The coupling between vibrational and rotational degrees of freedom is explicated in real position space as well as in phase space…
We apply the time-dependent variational principle, the nuclear field theory, and the boson expansion method to the Lipkin model to discuss anharmonicities of collective vibrational excitations. It is shown that all of these approaches lead…
We study numerically and analytically a simple off-lattice model of scalar harmonic vibrations by means of Euclidean random matrix theory. Since the spectrum of this model shares the most puzzling spectral features with the high-frequency…
The isotropic harmonic oscillator in N dimensions is shown to have an underlying symmetry group O(2,1)X O(N)which implies a unique result for the energy spectrum of the system. Raising and lowering operators analogous to those of the…
We use empirical molecular dynamics technique to study the low-energy vibrations in a large 4096 atom model for pure amorphous silicon and a set of models with voids of different size based on it. Numerical vibrational eigenvalues and…
Statistical theory of the dielectric susceptibility of polar liquid crystals is proposed. The molecules are not uniaxial but similar to cones. It is assumed that the permanent dipole moment of a molecule is parallel to the axis of the…
In this note, we investigate a mixture of combinatorial spectra and stratified simplicial sets, which would be thought of as a model of the spectrum objects of $(\infty, \infty)$-categories.
The vibrational motion equations of both homo and hetero-nuclei diatomic molecules are here derived for the first time. A diatomic molecule is first considered as a one dimensional quantum mechanics oscillator. The second and third-order…
We encode the sequence of prime numbers into simple superpositions of identical waves, mimicking the archetypal prime number sieve of Eratosthenes. The primes are identified as zeros accompanied by phase singularities in a physically…
General discrete one-dimensional stochastic models to describe the transport of single molecules along coupled parallel lattices with period $N$ are developed. Theoretical analysis that allows to calculate explicitly the steady-state…
We consider the vibrational energy levels of the first two electronic states of the molecule ion $H_2^+$. The Born-Oppenheimer method applied to the case of the Stark effect on a $H_2^+$-like molecule gives existence of sharp resonances…
Permutation Matrices are a well known class of matrices which encode the elements of the symmetric group on $d$ elements as a square $d\times d$ matrix. Motivated by [4], we define a similar class of matrices which are a generalization of…
We consider mirrors of the spherical shape, that can expand or contract. Due to the excitation of the vacuum around, some spherical waves radiated from vibrating mirrors are encountered. Using experience from well-known literature on…
We introduce a method for accurate quantum chemical calculations based on a simple variational wave function, defined by a single geminal that couples all the electrons into singlet pairs, combined with a real space correlation factor. The…
We study the classical and quantum rotation numbers of the free rotation of asymmetric top molecules. We show numerically that the quantum rotation number converges to its classical analog in the semi-classical limit. Different asymmetric…
Understanding the molecular vibrations underlying each of the unknown infrared emission (UIE) bands (such as those found at 3.3, 3.4, 3.5, 6.2, 6.9, 7.7, 11.3, 15.8, 16.4, 18.9 mm) observed in or towards astronomical objects is a vital link…